1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride

C17H26ClN3O4S — CID 119502993

IUPAC1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-13(21)14-6-8-15(9-7-14)25(23,24)20-12-4-3-5-16(20)17(22)19-11-10-18-2;/h6-9,16,18H,3-5,10-12H2,1-2H3,(H,19,22);1H
InChIKeyFFJOHHUOFBJQMA-UHFFFAOYSA-N
MW403.93 g/mol
LogP1.19
Rot. Bonds7

About 1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride

1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119502993) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119502993
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-13(21)14-6-8-15(9-7-14)25(23,24)20-12-4-3-5-16(20)17(22)19-11-10-18-2;/h6-9,16,18H,3-5,10-12H2,1-2H3,(H,19,22);1H
InChIKeyFFJOHHUOFBJQMA-UHFFFAOYSA-N
XLogP1.19
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 55361457
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
CID 63845358
1-(4-acetylphenyl)sulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-2-carboxamide
CID 55924143
1-(4-acetylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-2-carboxamide
CID 55333838
1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 42946902
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-oxopropyl)piperidine-2-carboxamide
CID 57063766
2-oxopropyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42978293
methyl 1-(4-acetylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 3866930
1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide
CID 42949047
(2R)-1-(4-acetylphenyl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 46385719
methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]propanoate
CID 53263010

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119502993) is 1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride is CNCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1.Cl.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is FFJOHHUOFBJQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S.ClH/c1-13(21)14-6-8-15(9-7-14)25(23,24)20-12-4-3-5-16(20)17(22)19-11-10-18-2;/h6-9,16,18H,3-5,10-12H2,1-2H3,(H,19,22);1H.
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride?
1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 403.93 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119502993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).